Vitas-M small molecule compound
8-[4-(benzyloxy)phenyl]-3-(3,4-dimethylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886974
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)OCc1ccccc1)c1ccc(c(c1)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H27N3O2S MW 481.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O2S/c1-20-8-11-24(14-21(20)2)31-18-32-28(33)15-26(27(16-30)29(32)35-19-31)23-9-12-25(13-10-23)34-17-22-6-4-3-5-7-22/h3-14,26H,15,17-19H2,1-2H3InChIKey
PAYRSULVKUSDQA-UHFFFAOYSA-NSynonyms
3(34dimethylphenyl)6oxo8(4phenylmethoxyphenyl)2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4(benzyloxy)phenyl)3(34dimethylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=C(C=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5)C
InChI=1SC29H27N3O2Sc12081124(1421(20)2)31183228(33)1526(27(1630)29(32)351931)2391225(131023)3417226435722h31426H151719H212H3
MFCD10087676
ZINC000012251048
ZINC000012251049
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